[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone

C18H21N5O — CID 72907250

IUPAC[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(c3nc4c(C)cccc4[nH]3)CC2)n[nH]1
InChIInChI=1S/C18H21N5O/c1-11-4-3-5-14-16(11)20-17(19-14)13-6-8-23(9-7-13)18(24)15-10-12(2)21-22-15/h3-5,10,13H,6-9H2,1-2H3,(H,19,20)(H,21,22)
InChIKeySRHLNCKAVVGLST-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.92
Rot. Bonds2

About [4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone

[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone (PubChem CID 72907250) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is [4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
PubChem CID72907250
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(c3nc4c(C)cccc4[nH]3)CC2)n[nH]1
InChIInChI=1S/C18H21N5O/c1-11-4-3-5-14-16(11)20-17(19-14)13-6-8-23(9-7-13)18(24)15-10-12(2)21-22-15/h3-5,10,13H,6-9H2,1-2H3,(H,19,20)(H,21,22)
InChIKeySRHLNCKAVVGLST-UHFFFAOYSA-N
XLogP2.92
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone (CID 72907250) is [4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone is Cc1cc(C(=O)N2CCC(c3nc4c(C)cccc4[nH]3)CC2)n[nH]1.
What is the InChIKey of [4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The InChIKey is SRHLNCKAVVGLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-11-4-3-5-14-16(11)20-17(19-14)13-6-8-23(9-7-13)18(24)15-10-12(2)21-22-15/h3-5,10,13H,6-9H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of [4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone has a molecular weight of 323.40 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 72907250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).